4-hydroxy-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidine-2-carboxylic acid

C8H11N3O5S — CID 102690637

IUPAC4-hydroxy-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H11N3O5S/c12-5-3-6(8(13)14)11(4-5)17(15,16)7-1-2-9-10-7/h1-2,5-6,12H,3-4H2,(H,9,10)(H,13,14)
InChIKeyRVVMSFRGAMEQIC-UHFFFAOYSA-N
MW261.26 g/mol
LogP-1.38
Rot. Bonds3

About 4-hydroxy-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidine-2-carboxylic acid

4-hydroxy-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidine-2-carboxylic acid (PubChem CID 102690637) has the molecular formula C8H11N3O5S and a molecular weight of 261.26 g/mol. Its IUPAC name is 4-hydroxy-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidine-2-carboxylic acid
PubChem CID102690637
Molecular FormulaC8H11N3O5S
Molecular Weight261.26 g/mol
Exact Mass261.04
IUPAC Name4-hydroxy-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H11N3O5S/c12-5-3-6(8(13)14)11(4-5)17(15,16)7-1-2-9-10-7/h1-2,5-6,12H,3-4H2,(H,9,10)(H,13,14)
InChIKeyRVVMSFRGAMEQIC-UHFFFAOYSA-N
XLogP-1.38
TPSA123.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-hydroxy-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 61143148
(2S)-4-hydroxy-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid
CID 61144532
(2R,4S)-1-(4-chlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 11869799
(2R,4R)-1-(2,6-difluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999632
(2R,4R)-4-hydroxy-1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidine-2-carboxylic acid
CID 79000325
(2R,4R)-1-(3,4-difluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000902
(2S,4S)-1-(3,5-difluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 64712843
(2S,4S)-1-[(2-cyano-3-pyridinyl)sulfonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 106593338
(2S)-1-(5-bromothiophen-2-yl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 61144941
(2R,4R)-4-hydroxy-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 79000328
(2R,4R)-4-hydroxy-1-(2-pyridin-4-ylethylsulfonyl)pyrrolidine-2-carboxylic acid
CID 79000827
1-(2,4-difluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 43089772

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidine-2-carboxylic acid (CID 102690637) is 4-hydroxy-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of 4-hydroxy-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is RVVMSFRGAMEQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O5S/c12-5-3-6(8(13)14)11(4-5)17(15,16)7-1-2-9-10-7/h1-2,5-6,12H,3-4H2,(H,9,10)(H,13,14).
What are the key properties of 4-hydroxy-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidine-2-carboxylic acid?
4-hydroxy-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 261.26 g/mol, XLogP of -1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102690637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).